Phosphonic acid,P-[(2-chloroethoxy)methyl]-, diethyl ester (116384-56-6)

Diethyl [(2-chloroethoxy)methyl]phosphonate , with the CAS register number 116384-56-6, has its systematic name which is diethyl [(2-chloroethoxy)methyl]phosphonate . And it also has other names, such as phosphonic acid,P-[(2-chloroethoxy)methyl]-,diethyl ester .

Characteristics of Diethyl [(2-chloroethoxy)methyl]phosphonate are as followings: (1)ACD/LogP:  0.90  ; (2)ACD/LogD (pH 5.5):  1  ; (3)ACD/LogD (pH 7.4):  1  ; (4)ACD/BCF (pH 5.5):  3  ; (5)ACD/BCF (pH 7.4):  3  ; (6)ACD/KOC (pH 5.5):  73  ; (7)ACD/KOC (pH 7.4):  73  ; (8)#H bond acceptors:  4  ; (9)#Freely Rotating Bonds:  8  ; (10)Polar Surface Area:  54.57   ; (11)Index of Refraction:  1.431  ; (12)Molar Refractivity:  51.438 cm³  ; (13)Molar Volume:  198.702 cm³  ; (14)Polarizability:  20.391 ×10-24cm³  ; (15)Surface Tension:  34.11 dyne/cm  ; (16)Density:  1.161 g/cm³  ; (17)Flash Point:  164.17 °C  ; (18)Enthalpy of Vaporization:  51.052 kJ/mol  ; (19)Boiling Point:  292.335 °C at 760 mmHg  ; (20)Vapour Pressure:  0.003 mmHg at 25°C.

Diethyl [(2-chloroethoxy)methyl]phosphonate is usually used in the medicine intermediate. And it is a very important intermediate in compounding the adefovir dipivoxil which is the new style of drug resisting  hepatitis B virus, so it is very necessary in resisting virus.

Diethyl [(2-chloroethoxy)methyl]phosphonate could be used in the lab to be as the reactant to produce other substance. Diethyl [(2-chloroethoxy)methyl]phosphonate reacts with 4-methoxy-5-methyl-1H-pyrimidin-2-one in the reagent of Sodium hydride and the solvent of dimethylformamide, and the condition is as below: the temperature is 80 deg C; the reaction time is one hour. Through this way, you could get [2-(4-methoxy-5-methyl-2-oxo-2H-pyrimidin-1-yl)-ethoxymethyl]-phosphonic acid diethyl ester .

And you also could obtain Diethyl [(2-chloroethoxy)methyl]phosphonate in the lab. Prepare the reactant of Diethyl 2-Hydroxyethoxymethanephosphonate , and then let it react in the chemical reagent of CCl4, triphenylphosphine . Under the heating condition, and react for about 4 hours, finally you could get the Diethyl [(2-chloroethoxy)methyl]phosphonate . The productivity is 50%.

If you need, you could convert the following data information into the molecular structure:
SMILES: O=P(OCC)(OCC)COCCCl
InChI: InChI=1/C7H16ClO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3
InChIKey: SRYMPIRBPPQDPD-UHFFFAOYAE
Std. InChI: InChI=1S/C7H16ClO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3

Diethyl [(2-chloroethoxy)methyl]phosphonate has many suppliers in China, such as Ningbo Hi-Tech Biochemicals Co., Ltd,  Chico Pharmaceutical Co., Ltd, and Fuxin Huifeng Chemical Co., Ltd, etc.